Information card for entry 7159858

Structure parameters

• Formula: C58 H46 Br N4 O3
• Calculated formula: C58 H46 Br N4 O3
• Title of publication: Enantioselective synthesis of spirooxindole-pyran derivatives <i>via</i> a remote inverse-electron-demand Diels-Alder reaction of β,γ-unsaturated amides.
• Authors of publication: Chen, Yuzhen; Chen, Jiajia; Zhong, Lin; Zhang, Yili; Zhan, Ruoting; Huang, Huicai; Xue, Yongbo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 16
• Pages of publication: 3198 - 3203
• a: 11.202 ± 0.0002 Å
• b: 11.3554 ± 0.0002 Å
• c: 18.8713 ± 0.0004 Å
• α: 103.795 ± 0.0018°
• β: 102.27 ± 0.0018°
• γ: 93.4841 ± 0.0016°
• Cell volume: 2262.23 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No